- InChI
- InChI=1S/C14H21NO4Si/c1-10(16)15-13(14(18)19-20(2,3)4)9-11-5-7-12(17)8-6-11/h5-8,13,17H,9H2,1-4H3,(H,15,16)
- InChI Key
- LOZDSIMIFWFOKE-UHFFFAOYSA-N
- Formula
- C14H21NO4Si
- SMILES
-
CC(=O)NC(Cc1ccc(O)cc1)C(=O)O[S
i](C)(C)C - Molecular Weight1
- 295.41
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7845 | Relay (1.0) Calculated Property | |
| ΔfG° | -288.11 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -810.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.817 | Crippen Calculated Property | |
| Pc | 1853.19 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2135.00; 2135.00] |
|
|
| Inp | 2135.00 | NIST | |
| Inp | 2135.00 | NIST | |
| Tboil | 604.82 | K | Relay (1.0) Calculated Property |
| Tc | 839.27 | K | Relay (1.0) Calculated Property |
| Tfus | 353.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.830 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-Acetyltyrosine, mono-TMS.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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